CID 3078313

Leucinamide, n-(2-mercaptoethyl)-, hydrobromide

Structural Information

Molecular Formula
C8H18N2OS
SMILES
CC(C)C[C@@H](C(=O)NCCS)N
InChI
InChI=1S/C8H18N2OS/c1-6(2)5-7(9)8(11)10-3-4-12/h6-7,12H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKey
QCSNUCDGMRLGGP-ZETCQYMHSA-N
Compound name
(2S)-2-amino-4-methyl-N-(2-sulfanylethyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.11398 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.12126 145.3
[M+Na]+ 213.10320 151.3
[M+NH4]+ 208.14780 152.1
[M+K]+ 229.07714 145.9
[M-H]- 189.10670 144.8
[M+Na-2H]- 211.08865 146.2
[M]+ 190.11343 145.9
[M]- 190.11453 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.